N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate

C101H95N21O13 — CID 158214039

IUPACN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate
SMILESCOc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2.C24H25N5O3.C18H14N4O4.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h3-16H,1-2H3,(H2,27,28,29,30,31,32);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeyGCKPSSARILPQFL-UHFFFAOYSA-N
MW1811.00 g/mol
LogP17.71
Rot. Bonds23

About N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate

N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate (PubChem CID 158214039) has the molecular formula C101H95N21O13 and a molecular weight of 1811.00 g/mol. Its IUPAC name is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate.

Molecular Properties

Compound NameN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate
PubChem CID158214039
Molecular FormulaC101H95N21O13
Molecular Weight1811.00 g/mol
Exact Mass1809.74
IUPAC NameN-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate
SMILESCOc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C26H22N4O2.C24H25N5O3.C18H14N4O4.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h3-16H,1-2H3,(H2,27,28,29,30,31,32);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3
InChIKeyGCKPSSARILPQFL-UHFFFAOYSA-N
XLogP17.71
TPSA417.57 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001811.00
LogP ≤ 517.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate with MolForge

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Related Compounds

N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxybenzamide
CID 70807881
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748054
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-methoxybenzamide
CID 91969406
methyl 4-(4-methyl-6-morpholin-4-yl-2-pyridinyl)benzoate;4-methyl-2-(3-methylphenyl)pyridine;4-[4-methyl-6-(3-methylphenyl)-2-pyridinyl]morpholine;4-[4-methyl-6-(4-methylphenyl)-2-pyridinyl]morpholine;methyl 4-(4-methyl-2-pyridinyl)benzoate;4-methyl-2-phenylpyridine;4-(4-methyl-6-phenyl-2-pyridinyl)morpholine
CID 158873466
(4-methoxyphenyl) N-[3-[5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]carbamate
CID 67006011
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxyacetamide
CID 122297260
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867
methyl 4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]benzoate
CID 112886492
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate?
The IUPAC name of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate (CID 158214039) is N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate.
What is the SMILES notation for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate?
The canonical SMILES for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate is COc1cccc(C(=O)N(C)c2nccc(N(C)C)n2)c1.COc1cccc(C(=O)Nc2nccc(Nc3ccccc3)n2)c1.Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nc(NC(=O)c3cccc(C)c3)n2)c1.Cc1cccc(C(=O)Nc2cc(N3CCOCC3)nc(NC(=O)c3cccc(C)c3)n2)c1.O=C(Nc1ccnc(NC(=O)Oc2ccccc2)n1)Oc1ccccc1.
What is the InChIKey of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate?
The InChIKey is GCKPSSARILPQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C24H25N5O3.C18H14N4O4.C18H16N4O2.C15H18N4O2/c1-17-8-6-12-20(14-17)24(31)28-23-16-22(19-10-4-3-5-11-19)27-26(29-23)30-25(32)21-13-7-9-18(2)15-21;1-16-5-3-7-18(13-16)22(30)25-20-15-21(29-9-11-32-12-10-29)27-24(26-20)28-23(31)19-8-4-6-17(2)14-19;23-17(25-13-7-3-1-4-8-13)21-15-11-12-19-16(20-15)22-18(24)26-14-9-5-2-6-10-14;1-24-15-9-5-6-13(12-15)17(23)22-18-19-11-10-16(21-18)20-14-7-3-2-4-8-14;1-18(2)13-8-9-16-15(17-13)19(3)14(20)11-6-5-7-12(10-11)21-4/h3-16H,1-2H3,(H2,27,28,29,30,31,32);3-8,13-15H,9-12H2,1-2H3,(H2,25,26,27,28,30,31);1-12H,(H2,19,20,21,22,23,24);2-12H,1H3,(H2,19,20,21,22,23);5-10H,1-4H3.
What are the key properties of N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate?
N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate has a molecular weight of 1811.00 g/mol, XLogP of 17.71, 23 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinopyrimidin-2-yl)-3-methoxybenzamide;N-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-N-methylbenzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-morpholin-4-ylpyrimidin-4-yl]benzamide;3-methyl-N-[2-[(3-methylbenzoyl)amino]-6-phenylpyrimidin-4-yl]benzamide;phenyl N-[2-(phenoxycarbonylamino)pyrimidin-4-yl]carbamate is sourced from PubChem (CID 158214039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).